7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine

C15H10ClF3N2O — CID 145013764

IUPAC7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
SMILESCc1cc(Cl)c2oc(-c3ccc(C(F)(F)F)cc3)nc2c1N
InChIInChI=1S/C15H10ClF3N2O/c1-7-6-10(16)13-12(11(7)20)21-14(22-13)8-2-4-9(5-3-8)15(17,18)19/h2-6H,20H2,1H3
InChIKeyRFWRNRPLKZEDBZ-UHFFFAOYSA-N
MW326.71 g/mol
LogP5.06
Rot. Bonds1

About 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine

7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine (PubChem CID 145013764) has the molecular formula C15H10ClF3N2O and a molecular weight of 326.71 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
PubChem CID145013764
Molecular FormulaC15H10ClF3N2O
Molecular Weight326.71 g/mol
Exact Mass326.04
IUPAC Name7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
SMILESCc1cc(Cl)c2oc(-c3ccc(C(F)(F)F)cc3)nc2c1N
InChIInChI=1S/C15H10ClF3N2O/c1-7-6-10(16)13-12(11(7)20)21-14(22-13)8-2-4-9(5-3-8)15(17,18)19/h2-6H,20H2,1H3
InChIKeyRFWRNRPLKZEDBZ-UHFFFAOYSA-N
XLogP5.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.71
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201835
5,7-dichloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine;N,N-dimethylformamide
CID 158413149
5-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201833
4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane
CID 145013765
7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 94979363
7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one
CID 68833585
4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 10691278
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728
2-(4-methylphenyl)-7-[2-[4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 170372832
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 736272
4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine
CID 134841274

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine (CID 145013764) is 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine is Cc1cc(Cl)c2oc(-c3ccc(C(F)(F)F)cc3)nc2c1N.
What is the InChIKey of 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The InChIKey is RFWRNRPLKZEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O/c1-7-6-10(16)13-12(11(7)20)21-14(22-13)8-2-4-9(5-3-8)15(17,18)19/h2-6H,20H2,1H3.
What are the key properties of 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine has a molecular weight of 326.71 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 145013764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).